methyl 1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]cyclopropane-1-carboxylate

C11H15N3O3S — CID 75397652

IUPACmethyl 1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)Nc2nc(C)c(C)s2)CC1
InChIInChI=1S/C11H15N3O3S/c1-6-7(2)18-10(12-6)13-9(16)14-11(4-5-11)8(15)17-3/h4-5H2,1-3H3,(H2,12,13,14,16)
InChIKeyPPBIHGBGIVVNHU-UHFFFAOYSA-N
MW269.33 g/mol
LogP1.59
Rot. Bonds3

About methyl 1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]cyclopropane-1-carboxylate

methyl 1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]cyclopropane-1-carboxylate (PubChem CID 75397652) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is methyl 1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]cyclopropane-1-carboxylate
PubChem CID75397652
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Namemethyl 1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)Nc2nc(C)c(C)s2)CC1
InChIInChI=1S/C11H15N3O3S/c1-6-7(2)18-10(12-6)13-9(16)14-11(4-5-11)8(15)17-3/h4-5H2,1-3H3,(H2,12,13,14,16)
InChIKeyPPBIHGBGIVVNHU-UHFFFAOYSA-N
XLogP1.59
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]cyclopropane-1-carboxylate (CID 75397652) is methyl 1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]cyclopropane-1-carboxylate is COC(=O)C1(NC(=O)Nc2nc(C)c(C)s2)CC1.
What is the InChIKey of methyl 1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]cyclopropane-1-carboxylate?
The InChIKey is PPBIHGBGIVVNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-6-7(2)18-10(12-6)13-9(16)14-11(4-5-11)8(15)17-3/h4-5H2,1-3H3,(H2,12,13,14,16).
What are the key properties of methyl 1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]cyclopropane-1-carboxylate?
methyl 1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]cyclopropane-1-carboxylate has a molecular weight of 269.33 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]cyclopropane-1-carboxylate is sourced from PubChem (CID 75397652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).